tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate

C17H22N6O2 — CID 157031809

IUPACtert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2ncc(C(N)C3(C#N)CC3)cc2n1
InChIInChI=1S/C17H22N6O2/c1-16(2,3)25-15(24)20-8-12-9-23-13(22-12)6-11(7-21-23)14(19)17(10-18)4-5-17/h6-7,9,14H,4-5,8,19H2,1-3H3,(H,20,24)
InChIKeyRUPIXFKEKVJILC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.06
Rot. Bonds4

About tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate

tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate (PubChem CID 157031809) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
PubChem CID157031809
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Nametert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cn2ncc(C(N)C3(C#N)CC3)cc2n1
InChIInChI=1S/C17H22N6O2/c1-16(2,3)25-15(24)20-8-12-9-23-13(22-12)6-11(7-21-23)14(19)17(10-18)4-5-17/h6-7,9,14H,4-5,8,19H2,1-3H3,(H,20,24)
InChIKeyRUPIXFKEKVJILC-UHFFFAOYSA-N
XLogP2.06
TPSA118.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[7-(1-aminoethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane
CID 157030522
tert-butyl N-[[7-[amino(cyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;2-methoxy-2-methylpropane
CID 157031698
tert-butyl N-[[7-[1-(4,4,4-trifluorobutanoylamino)ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
CID 166825475
tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
CID 157031608
tert-butyl N-[[7-[cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate
CID 166825223
acetonitrile;tert-butyl N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane
CID 157030821
N-[[7-[(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166825514
tert-butyl N-[(S)-[7-[(S)-(1-cyanocyclopropyl)-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 166500264
tert-butyl N-[(S)-[7-[(S)-(1-cyanocyclopropyl)-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 157031665
tert-butyl N-[(S)-[7-[(1S)-1-amino-2,2,2-trifluoroethyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 166500355
tert-butyl N-[(S)-[7-[(1R)-1-aminobut-3-enyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]carbamate
CID 166500752
2-[2-[[4,4-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]imidazo[1,2-b]pyridazin-7-yl]-4,4-difluorobutanoic acid
CID 175745164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate (CID 157031809) is tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cn2ncc(C(N)C3(C#N)CC3)cc2n1.
What is the InChIKey of tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
The InChIKey is RUPIXFKEKVJILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-16(2,3)25-15(24)20-8-12-9-23-13(22-12)6-11(7-21-23)14(19)17(10-18)4-5-17/h6-7,9,14H,4-5,8,19H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate?
tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[7-[amino-(1-cyanocyclopropyl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate is sourced from PubChem (CID 157031809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).